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High performance cellulose nanocomposites: comparing the reinforcing ability of bacterial cellulose and nanofibrillated cellulose.
The surface and bulk properties of nanofibrillated cellulose and bacterial cellulose, as well as their reinforcing ability in polymer nanocomposites, are investigated, and no significant difference between NFC and BC was observed. Expand
Comparison of molecular dynamics and binary collision approximation simulations for atom displacement analysis
Molecular dynamics (MD) and binary collision approximation (BCA) computer simulations are employed to study surface damage by single ion impacts. The predictions of BCA and MD simulations ofExpand
Molecular dynamics of single-particle impacts predicts phase diagrams for large scale pattern formation.
This work predicts the mechanism governing the transition from pattern formation to flatness using only parameter-free molecular dynamics simulations of single-ion impacts as input into a multiscale analysis, obtaining good agreement with experiment. Expand
Origin of complex impact craters on native oxide coated silicon surfaces
Crater structures induced by impact of keV-energy ${\mathrm{Ar}}_{n}^{+}$ cluster ions on silicon surfaces are measured with atomic force microscopy. Complex crater structures consisting of a centralExpand
A quantitative and comparative study of sputtering yields in Au
We have systematically tested two entirely independent, empirical potentials (EAM and MD/MC CEM) which are widely used in classical molecular dynamics simulations by simulating Xe ion impacts to theExpand
Comparison of silicon potentials for cluster bombardment simulations
Abstract We have compared three common silicon potentials for molecular dynamics simulations of cluster bombardment of silicon structures. The potentials tested are Stillinger–Weber, Tersoff III andExpand
Classical molecular dynamics simulations of hypervelocity nanoparticle impacts on amorphous silica
We have investigated the transition from the atomistic to the macroscopic impact mechanism by simulating large Argon cluster impacts on amorphous silica. The transition occurs at cluster sizes lessExpand
Stopping of energetic cobalt clusters and formation of radiation damage in graphite
The interaction of energetic up to 200 eV/atom size-selected Con clusters with HOPG is studied both experimentally and theoretically. Etching of the radiation damaged areas introduced by clusterExpand
Atomistic simulation of the transition from atomistic to macroscopic cratering.
Using large-scale atomistic simulations, we show that the macroscopic cratering behavior emerges for projectile impacts on Au at projectile sizes between 1000 and 10000 Au atoms at impact velocitiesExpand